>compound delta-Tocotrienol_delta-Tocotrienol
#instrument UPLC Q-Tof Premier, Waters
>formula C27H40O2
#smiles C([C@@]2(C)CCC=[C@](C)CCC=[C@](C)CCC=C(C)C)Cc(c1O2)cc(O)cc1C
#RECORD LC-ESI-QTOF_train_data/PR100479.txt
>charge 1
>ionization [M+H]+
>parentmass 397.31061

>collision 5-60
70.0075 2.423
75.0224 1.338
79.0122 1.698
81.514 2.187
90.4982 6.122
90.5158 3.989
91.4973 1.524
98.5028 1.863
99.5037 25.11
100.0036 3.503
100.5019 8.783
111.0105 12.08
111.5095 1.644
112.0057 4.659
355.7804 1.407
397.0512 1.319

